CAS RN: 23032-53-3
H-D-CYS(BZL)-OH
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23032-53-3
- Purity/Analytical Methods: >99.0%
23032-53-3 / (2S)-2-amino-3-benzylsulfanylpropanoic acid
Basic Information
CAS
23032-53-3
Multi CAS
No
Molecular Formula
C10H13NO2S
Molecular Weight
211.280000
Exact Mass
211.066700
SMILES
C1=CC=C(C=C1)CSC[C@H](C(=O)O)N
InChI
InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
InChIKey
GHBAYRBVXCRIHT-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.22
TPSA
63.32
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
-1.2
Consensus LogP
0.43
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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